4,6-dimethoxy-2-[(methylthio)methyl]pyrimidine | 186427-46-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,6-dimethoxy-2-[(methylthio)methyl]pyrimidine
• 英文别名: 2-methylthiomethyl-4,6-dimethoxypyrimidine；4,6-dimethoxy-2-(methylsulfanylmethyl)pyrimidine
• CAS: 186427-46-3
• 化学式: C₈H₁₂N₂O₂S
• 分子量: 200.261
• InChiKey: HLQUSJKNAJSCCQ-UHFFFAOYSA-N

物化性质

• 沸点：
  297.9±30.0 °C(Predicted)
• 密度：
  1.173±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  69.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4,6-dimethoxy-2-[(methylthio)methyl]pyrimidine 、 邻氯苯胺 在 次氯酸叔丁酯 、 sodium methylate 作用下， 以 二氯甲烷 、 甲醇 为溶剂， 反应 0.84h， 以83%的产率得到2-chloro-6-[1-(4,6-dimethoxypyrimidin-2-yl)-1-methylthiomethyl]aniline
  参考文献：
  名称：

  [EN] DIFLUOROMETHANESULFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES
  [FR] DERIVES DE DIFLUOROMETHANESULFONYLE ANILIDE UTILES EN TANT QU'HERBICIDES

  摘要：

  化合物的新颖二氟甲磺酰胺衍生物的化学式（I）如下所示：其中X代表卤素，Y代表CH或N，R1代表氢，R2代表氢或羟基，或者R1和R2可以一起与它们连接的碳原子形成C=O，以及它们作为稻田杂草除草剂的用途。

  公开号：

  WO2005096818A1
• 作为产物：
  描述：

  4-肼基苯甲酸 在 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 生成 4,6-dimethoxy-2-[(methylthio)methyl]pyrimidine
  参考文献：
  名称：

  [EN] COMPOSITIONS AND METHODS FOR TARGETING METASTATIC TUMORS USING MULTIVALENT LIGAND-LINKED CARBOHYDRATE POLYMERS
  [FR] COMPOSITIONS ET METHODES PERMETTANT DE CIBLER DES TUMEURS METASTATIQUES A L'AIDE DE POLYMERES MULTIVALENTS CARBOHYDRATES LIES A UN LIGAND

  摘要：

  本文披露了包含药物与多价配体多糖相连的组合物，以及该组合物在预防和治疗癌症中的用途。在一个方面，该多糖是通过对天然聚合物或半合成聚合物进行物理和化学处理获得的，这些聚合物特异地与一个或多个抗癌化疗药物相桥接。另一个方面涉及将多糖与化疗药物有效地输送到包括癌组织在内的患病组织。

  公开号：

  WO2005092097A1

文献信息

• USE OF SULFONANILIDE COMPOUNDS AS HERBICIDE
  申请人：ARAKI KOICHI

  公开号：US20090062536A1

  公开（公告）日：2009-03-05

  A herbicide comprising as an active ingredient a sulfonanilide compound represented by the formula: wherein, R1 represents CHF 2 or CH 2 CF 3 ; R2 represents hydrogen, C1-3 alkyl, 3-propenyl, or 3-propynyl; R3 represents hydrogen; R4 represents hydrogen, hydroxy, or methylthio, or R3 and R4, together with a carbon atom to which they are bonded, may form C═O; R5 represents halogen or methyl; X represents methoxy or chlorine; and Z represents CH or N; with the proviso that, (i) when R1 represents CH 2 CF 3 , R2 represents hydrogen, R5 represents bromine or iodine, X represents methoxy, and Z represents CH, (ii) when R1 represents CHF 2 and X represents methoxy, R5 represents bromine or iodine, Z represents N, and R2 represents C1-3 alkyl, 3-propenyl, or 3-propynyl, (iii) when R1 represents CHF 2 and X represents chlorine, Z represents CH.

  一种除草剂，其活性成分为由以下公式表示的磺酰苯胺化合物：其中，R1代表CHF2或CH2CF3; R2代表氢、C1-3烷基、3-丙烯基或3-丙炔基; R3代表氢; R4代表氢、羟基或甲硫基，或R3和R4与它们连接的碳原子一起形成C═O; R5代表卤素或甲基; X代表甲氧基或氯; Z代表CH或N; 前提是，(i) 当R1代表CH2CF3时，R2代表氢，R5代表溴或碘，X代表甲氧基，Z代表CH，(ii) 当R1代表CHF2且X代表甲氧基，R5代表溴或碘，Z代表N，R2代表C1-3烷基、3-丙烯基或3-丙炔基，(iii) 当R1代表CHF2且X代表氯，Z代表CH。
• Process for the Preparation of Phenyl 2-Pyrimidinyl Ketones and Their Novel Intermediates
  申请人：Araki Koichi

  公开号：US20080004444A1

  公开（公告）日：2008-01-03

  A process for the preparation of the compounds of the formula (I), or salts thereof, wherein R represents a hydrogen atom or difluoromethanesulfonyl, characterized in that compounds of the formula (II), or salts thereof, wherein R has the same definition as aforementioned, and n represents 0 or 1, are reacted in the presence of hydrogen peroxide and acetic acid.

  一种制备式(I)化合物或其盐的方法，其中R代表氢原子或二氟甲磺酰基，其特征在于在过氧化氢和乙酸的存在下，式(II)化合物或其盐被反应，其中R具有与上述相同的定义，n代表0或1。
• use of sulfonanilides as herbicide
  申请人：Araki Koichi

  公开号：US20090305894A1

  公开（公告）日：2009-12-10

  Herbicidal compositions comprising containing sulfonanilides of the formula (I), wherein R 1 represents hydrogen, fluorine, chlorine, C 1-4 alkyl, C 1-4 alkoxy, C 3-6 cycloalkyl-C 1-4 alkyloxy or C 1-4 haloalkoxy, R 2 represents hydrogen, fluorine or chlorine, R 3 represents hydrogen or fluorine, R 4 represents hydrogen or C 1-4 alkyl which may be optionally C 1-4 alkoxy-substituted, C 3-6 alkenyl or C 3-6 alkynyl, R 5 represents hydrogen, R 6 represents hydroxy, fluorine or chlorine, or R 5 and R 6 may form, together with the carbon to which they are bonded, C═O, and X represents CH or N, provided that the following cases are excluded: (i) R 1 represents hydrogen, fluorine or chlorine, R 2 represents hydrogen, R 3 represents hydrogen, R 4 represents hydrogen, R 5 represents hydrogen, and R 6 represents hydroxy, (ii) R 1 represents hydrogen, fluorine or chlorine, R 2 represents hydrogen, R 3 represents hydrogen, R 4 represents hydrogen, and R 5 and R 6 form C═O together with the carbon to which they are bonded, (iii) R 1 represents C 1-4 alkyl, R 2 represents hydrogen, R 3 represents hydrogen, R 4 represents hydrogen, R 5 represents hydrogen, R 6 represents hydroxy, and X represents CH, or (iv) R 1 represents C 1-4 alkyl, R 2 represents hydrogen, R 3 represents hydrogen, R 4 represents hydrogen, R 5 and R 6 form C═O together with the carbon to which they are bonded, and X represents CH, and new compounds being embraced by the formula (I).

  含有式(I)中的磺酰苯胺类化合物的除草组合物，其中R1代表氢、氟、氯、C1-4烷基、C1-4烷氧基、C3-6环烷基-C1-4烷氧基或C1-4卤代烷氧基，R2代表氢、氟或氯，R3代表氢或氟，R4代表氢或C1-4烷基，可以是可选择地C1-4烷氧基取代，C3-6烯基或C3-6炔基，R5代表氢，R6代表羟基、氟或氯，或者R5和R6可以与它们连接的碳一起形成C═O，X代表CH或N，但排除以下情况：(i) R1代表氢、氟或氯，R2代表氢，R3代表氢，R4代表氢，R5代表氢，R6代表羟基，(ii) R1代表氢、氟或氯，R2代表氢，R3代表氢，R4代表氢，R5和R6与它们连接的碳形成C═O，(iii) R1代表C1-4烷基，R2代表氢，R3代表氢，R4代表氢，R5代表氢，R6代表羟基，X代表CH，或(iv) R1代表C1-4烷基，R2代表氢，R3代表氢，R4代表氢，R5和R6与它们连接的碳形成C═O，X代表CH，新的化合物包括在式(I)中。
• DIFLUOROMETHANESFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES
  申请人：ARAKI Koichi

  公开号：US20080312084A1

  公开（公告）日：2008-12-18

  Novel difluoromethanesulfonamide derivatives of the formula (I) Difluoromethanesulfonamide derivatives represented by the formula wherein X represents halogen, Y represents CH or N, R 1 represents hydrogen, and R 2 represents hydrogen or hydroxy, or R 1 and R 2 together may form C═O with the carbon atom to which they are bonded, and their use as herbicide for paddy field weeds.

  化合物的式子为(I)，该化合物为新型二氟甲磺酰胺衍生物，式中X代表卤素，Y代表CH或N，R1代表氢原子，R2代表氢原子或羟基，或者R1和R2共同形成与它们结合的碳原子的C═O键。该化合物可作为稻田杂草的除草剂。
• Process for the preparation of phenyl 2-pyrimidinyl ketones and their novel intermediates
  申请人：Bayer Cropscience AG

  公开号：US07772395B2

  公开（公告）日：2010-08-10

  A process for the preparation of the compounds of the formula (I), or salts thereof, wherein R represents a hydrogen atom or difluoromethanesulfonyl, characterized in that compounds of the formula (II), or salts thereof, wherein R has the same definition as aforementioned, and n represents 0 or 1, are reacted in the presence of hydrogen peroxide and acetic acid.

  一种制备式(I)化合物或其盐的方法，其中R代表氢原子或二氟甲烷磺酰基，其特征在于在过氧化氢和乙酸的存在下，式(II)化合物或其盐被反应，其中R具有上述相同的定义，n代表0或1。